USER MOD reduce.3.24.130724 H: found=0, std=0, add=388, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 389 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 127 TYR OH : rot -152:sc= 1.02 USER MOD Set 1.2: A 136 GLN : amide:sc= -2.98! C(o=-2!,f=-5.2!) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 CYS SG : rot -9:sc= 0.981 USER MOD Single : A 99 SER OG : rot 96:sc= 1.29 USER MOD Single : A 103 SER OG : rot -40:sc= 0.0147 USER MOD Single : A 107 CYS SG : rot 90:sc= 1.24 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= -0.175 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 THR OG1 : rot 168:sc= 0.994 USER MOD Single : A 123 CYS SG : rot 100:sc= -6.01! USER MOD Single : A 128 THR OG1 : rot 180:sc= 0 USER MOD Single : A 130 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 137 ASN : amide:sc= -0.0189 X(o=-0.019,f=-0.36) USER MOD Single : A 139 SER OG : rot 114:sc= 1.28 USER MOD Single : A 143 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 115 N TRP A 92 -8.945 3.490 -3.939 1.00 0.00 N ATOM 116 CA TRP A 92 -7.780 3.285 -4.757 1.00 0.00 C ATOM 117 C TRP A 92 -8.109 2.416 -5.940 1.00 0.00 C ATOM 118 O TRP A 92 -9.126 1.705 -5.927 1.00 0.00 O ATOM 119 CB TRP A 92 -6.723 2.569 -3.922 1.00 0.00 C ATOM 120 CG TRP A 92 -6.283 3.310 -2.698 1.00 0.00 C ATOM 121 CD1 TRP A 92 -6.793 3.202 -1.435 1.00 0.00 C ATOM 122 CD2 TRP A 92 -5.225 4.251 -2.624 1.00 0.00 C ATOM 123 NE1 TRP A 92 -6.116 4.032 -0.587 1.00 0.00 N ATOM 124 CE2 TRP A 92 -5.144 4.692 -1.296 1.00 0.00 C ATOM 125 CE3 TRP A 92 -4.341 4.762 -3.558 1.00 0.00 C ATOM 126 CZ2 TRP A 92 -4.205 5.627 -0.883 1.00 0.00 C ATOM 127 CZ3 TRP A 92 -3.413 5.678 -3.156 1.00 0.00 C ATOM 128 CH2 TRP A 92 -3.346 6.107 -1.828 1.00 0.00 C ATOM 0 HA TRP A 92 -7.421 4.252 -5.109 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -7.115 1.598 -3.620 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -5.851 2.380 -4.549 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -7.610 2.556 -1.149 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -6.302 4.143 0.410 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -4.385 4.441 -4.588 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -4.156 5.960 0.143 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -2.717 6.079 -3.878 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -2.599 6.833 -1.544 1.00 0.00 H new ATOM 139 N LYS A 93 -7.274 2.468 -6.954 1.00 0.00 N ATOM 140 CA LYS A 93 -7.399 1.572 -8.080 1.00 0.00 C ATOM 141 C LYS A 93 -6.067 0.855 -8.257 1.00 0.00 C ATOM 142 O LYS A 93 -5.043 1.272 -7.685 1.00 0.00 O ATOM 143 CB LYS A 93 -7.760 2.314 -9.385 1.00 0.00 C ATOM 144 CG LYS A 93 -6.623 3.152 -9.962 1.00 0.00 C ATOM 145 CD LYS A 93 -6.981 3.800 -11.289 1.00 0.00 C ATOM 146 CE LYS A 93 -8.100 4.816 -11.160 1.00 0.00 C ATOM 147 NZ LYS A 93 -8.402 5.439 -12.460 1.00 0.00 N ATOM 0 H LYS A 93 -6.497 3.126 -7.021 1.00 0.00 H new ATOM 0 HA LYS A 93 -8.208 0.871 -7.878 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -8.073 1.583 -10.131 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -8.615 2.963 -9.196 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -6.351 3.928 -9.246 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -5.745 2.520 -10.097 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -6.098 4.288 -11.700 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -7.277 3.027 -11.998 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -8.994 4.330 -10.770 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -7.816 5.585 -10.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -9.171 6.130 -12.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -7.554 5.922 -12.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -8.695 4.706 -13.137 1.00 0.00 H new ATOM 161 N VAL A 94 -6.077 -0.222 -8.993 1.00 0.00 N ATOM 162 CA VAL A 94 -4.862 -0.930 -9.306 1.00 0.00 C ATOM 163 C VAL A 94 -3.962 -0.018 -10.143 1.00 0.00 C ATOM 164 O VAL A 94 -4.402 0.541 -11.146 1.00 0.00 O ATOM 165 CB VAL A 94 -5.161 -2.248 -10.078 1.00 0.00 C ATOM 166 CG1 VAL A 94 -3.881 -2.947 -10.493 1.00 0.00 C ATOM 167 CG2 VAL A 94 -6.012 -3.176 -9.227 1.00 0.00 C ATOM 0 H VAL A 94 -6.921 -0.633 -9.392 1.00 0.00 H new ATOM 0 HA VAL A 94 -4.359 -1.200 -8.378 1.00 0.00 H new ATOM 0 HB VAL A 94 -5.712 -1.988 -10.982 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -4.125 -3.864 -11.030 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -3.301 -2.290 -11.141 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.295 -3.190 -9.606 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -6.213 -4.094 -9.779 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -5.480 -3.416 -8.307 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -6.954 -2.685 -8.984 1.00 0.00 H new ATOM 177 N GLY A 95 -2.728 0.140 -9.723 1.00 0.00 N ATOM 178 CA GLY A 95 -1.810 0.988 -10.441 1.00 0.00 C ATOM 179 C GLY A 95 -1.657 2.357 -9.820 1.00 0.00 C ATOM 180 O GLY A 95 -1.007 3.228 -10.391 1.00 0.00 O ATOM 0 H GLY A 95 -2.340 -0.306 -8.892 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -0.834 0.504 -10.483 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -2.155 1.099 -11.469 1.00 0.00 H new ATOM 184 N ASP A 96 -2.228 2.548 -8.650 1.00 0.00 N ATOM 185 CA ASP A 96 -2.109 3.826 -7.958 1.00 0.00 C ATOM 186 C ASP A 96 -0.930 3.796 -7.059 1.00 0.00 C ATOM 187 O ASP A 96 -0.670 2.782 -6.393 1.00 0.00 O ATOM 188 CB ASP A 96 -3.340 4.199 -7.103 1.00 0.00 C ATOM 189 CG ASP A 96 -4.478 4.876 -7.827 1.00 0.00 C ATOM 190 OD1 ASP A 96 -4.236 5.632 -8.797 1.00 0.00 O ATOM 191 OD2 ASP A 96 -5.641 4.736 -7.371 1.00 0.00 O ATOM 0 H ASP A 96 -2.777 1.844 -8.156 1.00 0.00 H new ATOM 0 HA ASP A 96 -2.013 4.576 -8.743 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -3.723 3.290 -6.639 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -3.010 4.854 -6.296 1.00 0.00 H new ATOM 196 N LYS A 97 -0.169 4.851 -7.082 1.00 0.00 N ATOM 197 CA LYS A 97 0.906 5.011 -6.170 1.00 0.00 C ATOM 198 C LYS A 97 0.391 5.353 -4.818 1.00 0.00 C ATOM 199 O LYS A 97 -0.625 6.057 -4.678 1.00 0.00 O ATOM 200 CB LYS A 97 1.854 6.076 -6.617 1.00 0.00 C ATOM 201 CG LYS A 97 2.511 5.754 -7.903 1.00 0.00 C ATOM 202 CD LYS A 97 3.717 6.608 -8.079 1.00 0.00 C ATOM 203 CE LYS A 97 4.535 6.134 -9.231 1.00 0.00 C ATOM 204 NZ LYS A 97 5.751 6.946 -9.404 1.00 0.00 N ATOM 0 H LYS A 97 -0.284 5.623 -7.739 1.00 0.00 H new ATOM 0 HA LYS A 97 1.442 4.063 -6.133 1.00 0.00 H new ATOM 0 HB2 LYS A 97 1.315 7.018 -6.715 1.00 0.00 H new ATOM 0 HB3 LYS A 97 2.616 6.223 -5.851 1.00 0.00 H new ATOM 0 HG2 LYS A 97 2.793 4.701 -7.925 1.00 0.00 H new ATOM 0 HG3 LYS A 97 1.816 5.915 -8.727 1.00 0.00 H new ATOM 0 HD2 LYS A 97 3.415 7.643 -8.242 1.00 0.00 H new ATOM 0 HD3 LYS A 97 4.317 6.591 -7.169 1.00 0.00 H new ATOM 0 HE2 LYS A 97 4.812 5.091 -9.076 1.00 0.00 H new ATOM 0 HE3 LYS A 97 3.938 6.173 -10.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 6.295 6.588 -10.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 5.485 7.937 -9.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 6.332 6.888 -8.544 1.00 0.00 H new ATOM 218 N CYS A 98 1.082 4.884 -3.844 1.00 0.00 N ATOM 219 CA CYS A 98 0.727 5.109 -2.478 1.00 0.00 C ATOM 220 C CYS A 98 1.950 4.876 -1.607 1.00 0.00 C ATOM 221 O CYS A 98 3.068 4.709 -2.116 1.00 0.00 O ATOM 222 CB CYS A 98 -0.426 4.162 -2.078 1.00 0.00 C ATOM 223 SG CYS A 98 -0.046 2.417 -2.271 1.00 0.00 S ATOM 0 H CYS A 98 1.925 4.323 -3.968 1.00 0.00 H new ATOM 0 HA CYS A 98 0.386 6.135 -2.341 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -0.693 4.351 -1.038 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -1.303 4.400 -2.680 1.00 0.00 H new ATOM 0 HG CYS A 98 1.086 2.286 -2.897 1.00 0.00 H new ATOM 229 N SER A 99 1.760 4.895 -0.345 1.00 0.00 N ATOM 230 CA SER A 99 2.790 4.575 0.569 1.00 0.00 C ATOM 231 C SER A 99 2.222 3.556 1.507 1.00 0.00 C ATOM 232 O SER A 99 1.028 3.628 1.870 1.00 0.00 O ATOM 233 CB SER A 99 3.259 5.785 1.340 1.00 0.00 C ATOM 234 OG SER A 99 3.435 6.919 0.488 1.00 0.00 O ATOM 0 H SER A 99 0.871 5.137 0.092 1.00 0.00 H new ATOM 0 HA SER A 99 3.660 4.196 0.033 1.00 0.00 H new ATOM 0 HB2 SER A 99 2.534 6.024 2.119 1.00 0.00 H new ATOM 0 HB3 SER A 99 4.200 5.556 1.840 1.00 0.00 H new ATOM 0 HG SER A 99 2.631 7.478 0.518 1.00 0.00 H new ATOM 240 N ALA A 100 3.020 2.632 1.890 1.00 0.00 N ATOM 241 CA ALA A 100 2.568 1.544 2.689 1.00 0.00 C ATOM 242 C ALA A 100 3.519 1.287 3.823 1.00 0.00 C ATOM 243 O ALA A 100 4.666 1.752 3.795 1.00 0.00 O ATOM 244 CB ALA A 100 2.408 0.316 1.823 1.00 0.00 C ATOM 0 H ALA A 100 4.013 2.604 1.660 1.00 0.00 H new ATOM 0 HA ALA A 100 1.600 1.795 3.124 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.062 -0.518 2.434 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.680 0.517 1.038 1.00 0.00 H new ATOM 0 HB3 ALA A 100 3.367 0.061 1.372 1.00 0.00 H new ATOM 250 N ILE A 101 3.039 0.602 4.831 1.00 0.00 N ATOM 251 CA ILE A 101 3.856 0.250 5.959 1.00 0.00 C ATOM 252 C ILE A 101 4.450 -1.114 5.705 1.00 0.00 C ATOM 253 O ILE A 101 3.705 -2.102 5.575 1.00 0.00 O ATOM 254 CB ILE A 101 3.044 0.200 7.298 1.00 0.00 C ATOM 255 CG1 ILE A 101 2.651 1.598 7.788 1.00 0.00 C ATOM 256 CG2 ILE A 101 3.818 -0.542 8.396 1.00 0.00 C ATOM 257 CD1 ILE A 101 3.810 2.393 8.371 1.00 0.00 C ATOM 0 H ILE A 101 2.075 0.275 4.890 1.00 0.00 H new ATOM 0 HA ILE A 101 4.624 1.015 6.069 1.00 0.00 H new ATOM 0 HB ILE A 101 2.128 -0.350 7.082 1.00 0.00 H new ATOM 0 HG12 ILE A 101 2.221 2.157 6.957 1.00 0.00 H new ATOM 0 HG13 ILE A 101 1.872 1.502 8.544 1.00 0.00 H new ATOM 0 HG21 ILE A 101 3.226 -0.558 9.311 1.00 0.00 H new ATOM 0 HG22 ILE A 101 4.016 -1.564 8.074 1.00 0.00 H new ATOM 0 HG23 ILE A 101 4.762 -0.031 8.584 1.00 0.00 H new ATOM 0 HD11 ILE A 101 3.454 3.371 8.696 1.00 0.00 H new ATOM 0 HD12 ILE A 101 4.226 1.857 9.224 1.00 0.00 H new ATOM 0 HD13 ILE A 101 4.581 2.522 7.612 1.00 0.00 H new ATOM 269 N TRP A 102 5.762 -1.166 5.618 1.00 0.00 N ATOM 270 CA TRP A 102 6.463 -2.414 5.428 1.00 0.00 C ATOM 271 C TRP A 102 6.248 -3.242 6.652 1.00 0.00 C ATOM 272 O TRP A 102 6.641 -2.835 7.709 1.00 0.00 O ATOM 273 CB TRP A 102 7.960 -2.172 5.258 1.00 0.00 C ATOM 274 CG TRP A 102 8.705 -3.360 4.721 1.00 0.00 C ATOM 275 CD1 TRP A 102 8.194 -4.352 3.957 1.00 0.00 C ATOM 276 CD2 TRP A 102 10.090 -3.657 4.870 1.00 0.00 C ATOM 277 NE1 TRP A 102 9.161 -5.243 3.623 1.00 0.00 N ATOM 278 CE2 TRP A 102 10.334 -4.846 4.164 1.00 0.00 C ATOM 279 CE3 TRP A 102 11.144 -3.046 5.524 1.00 0.00 C ATOM 280 CZ2 TRP A 102 11.580 -5.427 4.095 1.00 0.00 C ATOM 281 CZ3 TRP A 102 12.391 -3.629 5.459 1.00 0.00 C ATOM 282 CH2 TRP A 102 12.595 -4.811 4.747 1.00 0.00 C ATOM 0 H TRP A 102 6.368 -0.348 5.677 1.00 0.00 H new ATOM 0 HA TRP A 102 6.089 -2.913 4.534 1.00 0.00 H new ATOM 0 HB2 TRP A 102 8.109 -1.327 4.586 1.00 0.00 H new ATOM 0 HB3 TRP A 102 8.386 -1.892 6.222 1.00 0.00 H new ATOM 0 HD1 TRP A 102 7.160 -4.425 3.655 1.00 0.00 H new ATOM 0 HE1 TRP A 102 9.025 -6.079 3.055 1.00 0.00 H new ATOM 0 HE3 TRP A 102 10.993 -2.130 6.075 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 11.742 -6.340 3.542 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 13.223 -3.164 5.967 1.00 0.00 H new ATOM 0 HH2 TRP A 102 13.584 -5.244 4.715 1.00 0.00 H new ATOM 293 N SER A 103 5.658 -4.388 6.521 1.00 0.00 N ATOM 294 CA SER A 103 5.339 -5.193 7.693 1.00 0.00 C ATOM 295 C SER A 103 6.609 -5.707 8.392 1.00 0.00 C ATOM 296 O SER A 103 6.562 -6.149 9.541 1.00 0.00 O ATOM 297 CB SER A 103 4.408 -6.350 7.329 1.00 0.00 C ATOM 298 OG SER A 103 3.768 -6.900 8.481 1.00 0.00 O ATOM 0 H SER A 103 5.383 -4.798 5.629 1.00 0.00 H new ATOM 0 HA SER A 103 4.816 -4.547 8.398 1.00 0.00 H new ATOM 0 HB2 SER A 103 3.652 -6.000 6.626 1.00 0.00 H new ATOM 0 HB3 SER A 103 4.978 -7.129 6.823 1.00 0.00 H new ATOM 0 HG SER A 103 4.406 -6.937 9.224 1.00 0.00 H new ATOM 304 N GLU A 104 7.742 -5.634 7.716 1.00 0.00 N ATOM 305 CA GLU A 104 8.954 -6.130 8.301 1.00 0.00 C ATOM 306 C GLU A 104 9.573 -5.087 9.211 1.00 0.00 C ATOM 307 O GLU A 104 9.988 -5.394 10.320 1.00 0.00 O ATOM 308 CB GLU A 104 9.953 -6.520 7.228 1.00 0.00 C ATOM 309 CG GLU A 104 9.437 -7.534 6.227 1.00 0.00 C ATOM 310 CD GLU A 104 9.130 -8.894 6.825 1.00 0.00 C ATOM 311 OE1 GLU A 104 8.032 -9.084 7.394 1.00 0.00 O ATOM 312 OE2 GLU A 104 9.972 -9.822 6.708 1.00 0.00 O ATOM 0 H GLU A 104 7.839 -5.242 6.779 1.00 0.00 H new ATOM 0 HA GLU A 104 8.702 -7.014 8.887 1.00 0.00 H new ATOM 0 HB2 GLU A 104 10.260 -5.622 6.691 1.00 0.00 H new ATOM 0 HB3 GLU A 104 10.844 -6.924 7.709 1.00 0.00 H new ATOM 0 HG2 GLU A 104 8.533 -7.141 5.761 1.00 0.00 H new ATOM 0 HG3 GLU A 104 10.176 -7.656 5.435 1.00 0.00 H new ATOM 319 N ASP A 105 9.579 -3.839 8.773 1.00 0.00 N ATOM 320 CA ASP A 105 10.264 -2.797 9.544 1.00 0.00 C ATOM 321 C ASP A 105 9.258 -1.856 10.174 1.00 0.00 C ATOM 322 O ASP A 105 9.556 -1.155 11.122 1.00 0.00 O ATOM 323 CB ASP A 105 11.167 -2.006 8.606 1.00 0.00 C ATOM 324 CG ASP A 105 12.218 -1.191 9.302 1.00 0.00 C ATOM 325 OD1 ASP A 105 11.951 -0.067 9.723 1.00 0.00 O ATOM 326 OD2 ASP A 105 13.363 -1.669 9.400 1.00 0.00 O ATOM 0 H ASP A 105 9.133 -3.521 7.913 1.00 0.00 H new ATOM 0 HA ASP A 105 10.851 -3.265 10.334 1.00 0.00 H new ATOM 0 HB2 ASP A 105 11.656 -2.699 7.921 1.00 0.00 H new ATOM 0 HB3 ASP A 105 10.550 -1.342 8.001 1.00 0.00 H new ATOM 331 N GLY A 106 8.054 -1.871 9.651 1.00 0.00 N ATOM 332 CA GLY A 106 6.978 -1.038 10.182 1.00 0.00 C ATOM 333 C GLY A 106 7.045 0.403 9.700 1.00 0.00 C ATOM 334 O GLY A 106 6.333 1.267 10.201 1.00 0.00 O ATOM 0 H GLY A 106 7.786 -2.450 8.855 1.00 0.00 H new ATOM 0 HA2 GLY A 106 6.018 -1.467 9.893 1.00 0.00 H new ATOM 0 HA3 GLY A 106 7.019 -1.053 11.271 1.00 0.00 H new ATOM 338 N CYS A 107 7.929 0.674 8.775 1.00 0.00 N ATOM 339 CA CYS A 107 8.098 2.011 8.255 1.00 0.00 C ATOM 340 C CYS A 107 7.292 2.274 6.985 1.00 0.00 C ATOM 341 O CYS A 107 6.860 1.333 6.312 1.00 0.00 O ATOM 342 CB CYS A 107 9.563 2.314 8.077 1.00 0.00 C ATOM 343 SG CYS A 107 10.461 2.404 9.627 1.00 0.00 S ATOM 0 H CYS A 107 8.551 -0.021 8.361 1.00 0.00 H new ATOM 0 HA CYS A 107 7.688 2.701 8.992 1.00 0.00 H new ATOM 0 HB2 CYS A 107 10.012 1.545 7.449 1.00 0.00 H new ATOM 0 HB3 CYS A 107 9.670 3.261 7.548 1.00 0.00 H new ATOM 0 HG CYS A 107 10.915 1.225 9.935 1.00 0.00 H new ATOM 349 N ILE A 108 7.100 3.551 6.673 1.00 0.00 N ATOM 350 CA ILE A 108 6.426 3.984 5.453 1.00 0.00 C ATOM 351 C ILE A 108 7.396 3.894 4.294 1.00 0.00 C ATOM 352 O ILE A 108 8.518 4.401 4.376 1.00 0.00 O ATOM 353 CB ILE A 108 5.962 5.467 5.531 1.00 0.00 C ATOM 354 CG1 ILE A 108 5.005 5.703 6.687 1.00 0.00 C ATOM 355 CG2 ILE A 108 5.298 5.873 4.224 1.00 0.00 C ATOM 356 CD1 ILE A 108 3.640 5.096 6.491 1.00 0.00 C ATOM 0 H ILE A 108 7.410 4.322 7.265 1.00 0.00 H new ATOM 0 HA ILE A 108 5.557 3.339 5.323 1.00 0.00 H new ATOM 0 HB ILE A 108 6.848 6.079 5.702 1.00 0.00 H new ATOM 0 HG12 ILE A 108 5.445 5.295 7.597 1.00 0.00 H new ATOM 0 HG13 ILE A 108 4.895 6.777 6.840 1.00 0.00 H new ATOM 0 HG21 ILE A 108 4.976 6.912 4.287 1.00 0.00 H new ATOM 0 HG22 ILE A 108 6.009 5.762 3.405 1.00 0.00 H new ATOM 0 HG23 ILE A 108 4.433 5.236 4.042 1.00 0.00 H new ATOM 0 HD11 ILE A 108 3.018 5.310 7.360 1.00 0.00 H new ATOM 0 HD12 ILE A 108 3.177 5.521 5.601 1.00 0.00 H new ATOM 0 HD13 ILE A 108 3.736 4.017 6.370 1.00 0.00 H new ATOM 368 N TYR A 109 6.981 3.265 3.250 1.00 0.00 N ATOM 369 CA TYR A 109 7.765 3.156 2.040 1.00 0.00 C ATOM 370 C TYR A 109 6.875 3.370 0.826 1.00 0.00 C ATOM 371 O TYR A 109 5.663 3.103 0.894 1.00 0.00 O ATOM 372 CB TYR A 109 8.447 1.795 1.959 1.00 0.00 C ATOM 373 CG TYR A 109 9.566 1.586 2.956 1.00 0.00 C ATOM 374 CD1 TYR A 109 10.853 1.985 2.659 1.00 0.00 C ATOM 375 CD2 TYR A 109 9.337 0.960 4.169 1.00 0.00 C ATOM 376 CE1 TYR A 109 11.887 1.768 3.541 1.00 0.00 C ATOM 377 CE2 TYR A 109 10.361 0.742 5.061 1.00 0.00 C ATOM 378 CZ TYR A 109 11.636 1.142 4.746 1.00 0.00 C ATOM 379 OH TYR A 109 12.664 0.908 5.635 1.00 0.00 O ATOM 0 H TYR A 109 6.075 2.800 3.198 1.00 0.00 H new ATOM 0 HA TYR A 109 8.538 3.925 2.057 1.00 0.00 H new ATOM 0 HB2 TYR A 109 7.697 1.019 2.108 1.00 0.00 H new ATOM 0 HB3 TYR A 109 8.846 1.663 0.953 1.00 0.00 H new ATOM 0 HD1 TYR A 109 11.052 2.476 1.718 1.00 0.00 H new ATOM 0 HD2 TYR A 109 8.337 0.637 4.419 1.00 0.00 H new ATOM 0 HE1 TYR A 109 12.889 2.085 3.292 1.00 0.00 H new ATOM 0 HE2 TYR A 109 10.163 0.258 6.006 1.00 0.00 H new ATOM 0 HH TYR A 109 12.311 0.460 6.432 1.00 0.00 H new ATOM 389 N PRO A 110 7.438 3.892 -0.282 1.00 0.00 N ATOM 390 CA PRO A 110 6.686 4.113 -1.519 1.00 0.00 C ATOM 391 C PRO A 110 6.327 2.789 -2.183 1.00 0.00 C ATOM 392 O PRO A 110 7.192 1.924 -2.402 1.00 0.00 O ATOM 393 CB PRO A 110 7.659 4.905 -2.402 1.00 0.00 C ATOM 394 CG PRO A 110 9.016 4.558 -1.888 1.00 0.00 C ATOM 395 CD PRO A 110 8.856 4.297 -0.420 1.00 0.00 C ATOM 0 HA PRO A 110 5.744 4.633 -1.347 1.00 0.00 H new ATOM 0 HB2 PRO A 110 7.552 4.631 -3.451 1.00 0.00 H new ATOM 0 HB3 PRO A 110 7.473 5.977 -2.332 1.00 0.00 H new ATOM 0 HG2 PRO A 110 9.412 3.680 -2.398 1.00 0.00 H new ATOM 0 HG3 PRO A 110 9.718 5.373 -2.064 1.00 0.00 H new ATOM 0 HD2 PRO A 110 9.531 3.512 -0.078 1.00 0.00 H new ATOM 0 HD3 PRO A 110 9.077 5.186 0.170 1.00 0.00 H new ATOM 403 N ALA A 111 5.077 2.616 -2.487 1.00 0.00 N ATOM 404 CA ALA A 111 4.623 1.406 -3.086 1.00 0.00 C ATOM 405 C ALA A 111 3.478 1.677 -4.009 1.00 0.00 C ATOM 406 O ALA A 111 2.684 2.572 -3.780 1.00 0.00 O ATOM 407 CB ALA A 111 4.213 0.409 -2.032 1.00 0.00 C ATOM 0 H ALA A 111 4.347 3.310 -2.326 1.00 0.00 H new ATOM 0 HA ALA A 111 5.446 0.983 -3.661 1.00 0.00 H new ATOM 0 HB1 ALA A 111 3.870 -0.507 -2.512 1.00 0.00 H new ATOM 0 HB2 ALA A 111 5.066 0.185 -1.391 1.00 0.00 H new ATOM 0 HB3 ALA A 111 3.406 0.827 -1.430 1.00 0.00 H new ATOM 413 N THR A 112 3.379 0.921 -5.036 1.00 0.00 N ATOM 414 CA THR A 112 2.307 1.099 -5.958 1.00 0.00 C ATOM 415 C THR A 112 1.409 -0.117 -5.860 1.00 0.00 C ATOM 416 O THR A 112 1.883 -1.216 -5.595 1.00 0.00 O ATOM 417 CB THR A 112 2.876 1.265 -7.379 1.00 0.00 C ATOM 418 OG1 THR A 112 3.963 2.206 -7.315 1.00 0.00 O ATOM 419 CG2 THR A 112 1.828 1.822 -8.324 1.00 0.00 C ATOM 0 H THR A 112 4.027 0.168 -5.266 1.00 0.00 H new ATOM 0 HA THR A 112 1.729 1.994 -5.727 1.00 0.00 H new ATOM 0 HB THR A 112 3.201 0.292 -7.746 1.00 0.00 H new ATOM 0 HG1 THR A 112 4.344 2.327 -8.210 1.00 0.00 H new ATOM 0 HG21 THR A 112 2.257 1.929 -9.320 1.00 0.00 H new ATOM 0 HG22 THR A 112 0.978 1.141 -8.366 1.00 0.00 H new ATOM 0 HG23 THR A 112 1.496 2.796 -7.965 1.00 0.00 H new ATOM 427 N ILE A 113 0.148 0.080 -6.056 1.00 0.00 N ATOM 428 CA ILE A 113 -0.824 -0.976 -5.938 1.00 0.00 C ATOM 429 C ILE A 113 -0.770 -1.901 -7.144 1.00 0.00 C ATOM 430 O ILE A 113 -0.849 -1.450 -8.286 1.00 0.00 O ATOM 431 CB ILE A 113 -2.227 -0.373 -5.791 1.00 0.00 C ATOM 432 CG1 ILE A 113 -2.257 0.526 -4.559 1.00 0.00 C ATOM 433 CG2 ILE A 113 -3.266 -1.474 -5.672 1.00 0.00 C ATOM 434 CD1 ILE A 113 -3.483 1.371 -4.454 1.00 0.00 C ATOM 0 H ILE A 113 -0.250 0.986 -6.306 1.00 0.00 H new ATOM 0 HA ILE A 113 -0.592 -1.566 -5.051 1.00 0.00 H new ATOM 0 HB ILE A 113 -2.463 0.219 -6.675 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -2.179 -0.095 -3.667 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -1.381 1.175 -4.574 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -4.256 -1.030 -5.568 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -3.239 -2.097 -6.566 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -3.049 -2.086 -4.796 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -3.428 1.981 -3.552 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -3.554 2.020 -5.327 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -4.363 0.730 -4.406 1.00 0.00 H new ATOM 446 N ALA A 114 -0.620 -3.174 -6.888 1.00 0.00 N ATOM 447 CA ALA A 114 -0.562 -4.162 -7.941 1.00 0.00 C ATOM 448 C ALA A 114 -1.892 -4.879 -8.082 1.00 0.00 C ATOM 449 O ALA A 114 -2.248 -5.338 -9.169 1.00 0.00 O ATOM 450 CB ALA A 114 0.549 -5.159 -7.674 1.00 0.00 C ATOM 0 H ALA A 114 -0.534 -3.558 -5.947 1.00 0.00 H new ATOM 0 HA ALA A 114 -0.350 -3.647 -8.878 1.00 0.00 H new ATOM 0 HB1 ALA A 114 0.578 -5.895 -8.477 1.00 0.00 H new ATOM 0 HB2 ALA A 114 1.504 -4.636 -7.627 1.00 0.00 H new ATOM 0 HB3 ALA A 114 0.365 -5.664 -6.726 1.00 0.00 H new ATOM 456 N SER A 115 -2.629 -4.992 -6.987 1.00 0.00 N ATOM 457 CA SER A 115 -3.936 -5.657 -6.997 1.00 0.00 C ATOM 458 C SER A 115 -4.731 -5.190 -5.788 1.00 0.00 C ATOM 459 O SER A 115 -4.139 -4.861 -4.775 1.00 0.00 O ATOM 460 CB SER A 115 -3.758 -7.181 -6.899 1.00 0.00 C ATOM 461 OG SER A 115 -2.876 -7.682 -7.893 1.00 0.00 O ATOM 0 H SER A 115 -2.348 -4.633 -6.075 1.00 0.00 H new ATOM 0 HA SER A 115 -4.454 -5.410 -7.924 1.00 0.00 H new ATOM 0 HB2 SER A 115 -3.374 -7.438 -5.912 1.00 0.00 H new ATOM 0 HB3 SER A 115 -4.729 -7.666 -6.999 1.00 0.00 H new ATOM 0 HG SER A 115 -2.790 -8.653 -7.794 1.00 0.00 H new ATOM 467 N ILE A 116 -6.038 -5.120 -5.906 1.00 0.00 N ATOM 468 CA ILE A 116 -6.906 -4.771 -4.809 1.00 0.00 C ATOM 469 C ILE A 116 -7.994 -5.819 -4.653 1.00 0.00 C ATOM 470 O ILE A 116 -8.588 -6.264 -5.645 1.00 0.00 O ATOM 471 CB ILE A 116 -7.592 -3.414 -5.051 1.00 0.00 C ATOM 472 CG1 ILE A 116 -6.569 -2.306 -5.210 1.00 0.00 C ATOM 473 CG2 ILE A 116 -8.557 -3.098 -3.920 1.00 0.00 C ATOM 474 CD1 ILE A 116 -7.161 -1.010 -5.618 1.00 0.00 C ATOM 0 H ILE A 116 -6.532 -5.307 -6.779 1.00 0.00 H new ATOM 0 HA ILE A 116 -6.290 -4.715 -3.912 1.00 0.00 H new ATOM 0 HB ILE A 116 -8.158 -3.481 -5.980 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -6.039 -2.174 -4.267 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -5.830 -2.608 -5.952 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -9.033 -2.136 -4.106 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -9.319 -3.875 -3.864 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -8.011 -3.056 -2.977 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -6.372 -0.264 -5.713 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -7.667 -1.127 -6.576 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -7.879 -0.685 -4.865 1.00 0.00 H new ATOM 486 N ASP A 117 -8.245 -6.210 -3.436 1.00 0.00 N ATOM 487 CA ASP A 117 -9.338 -7.098 -3.119 1.00 0.00 C ATOM 488 C ASP A 117 -10.294 -6.267 -2.341 1.00 0.00 C ATOM 489 O ASP A 117 -10.115 -6.054 -1.131 1.00 0.00 O ATOM 490 CB ASP A 117 -8.910 -8.294 -2.271 1.00 0.00 C ATOM 491 CG ASP A 117 -9.952 -9.395 -2.244 1.00 0.00 C ATOM 492 OD1 ASP A 117 -11.057 -9.205 -1.668 1.00 0.00 O ATOM 493 OD2 ASP A 117 -9.680 -10.486 -2.801 1.00 0.00 O ATOM 0 H ASP A 117 -7.695 -5.922 -2.627 1.00 0.00 H new ATOM 0 HA ASP A 117 -9.758 -7.515 -4.034 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -7.974 -8.694 -2.661 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -8.714 -7.960 -1.252 1.00 0.00 H new ATOM 498 N PHE A 118 -11.269 -5.747 -3.015 1.00 0.00 N ATOM 499 CA PHE A 118 -12.184 -4.813 -2.423 1.00 0.00 C ATOM 500 C PHE A 118 -13.039 -5.469 -1.363 1.00 0.00 C ATOM 501 O PHE A 118 -13.503 -4.807 -0.449 1.00 0.00 O ATOM 502 CB PHE A 118 -13.046 -4.146 -3.483 1.00 0.00 C ATOM 503 CG PHE A 118 -12.286 -3.321 -4.489 1.00 0.00 C ATOM 504 CD1 PHE A 118 -11.968 -2.000 -4.223 1.00 0.00 C ATOM 505 CD2 PHE A 118 -11.912 -3.857 -5.708 1.00 0.00 C ATOM 506 CE1 PHE A 118 -11.291 -1.231 -5.151 1.00 0.00 C ATOM 507 CE2 PHE A 118 -11.232 -3.094 -6.638 1.00 0.00 C ATOM 508 CZ PHE A 118 -10.923 -1.779 -6.360 1.00 0.00 C ATOM 0 H PHE A 118 -11.457 -5.956 -3.995 1.00 0.00 H new ATOM 0 HA PHE A 118 -11.591 -4.040 -1.934 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -13.605 -4.916 -4.014 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -13.777 -3.507 -2.987 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -12.253 -1.564 -3.277 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -12.154 -4.884 -5.936 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -11.051 -0.202 -4.928 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -10.942 -3.528 -7.584 1.00 0.00 H new ATOM 0 HZ PHE A 118 -10.394 -1.181 -7.088 1.00 0.00 H new ATOM 518 N LYS A 119 -13.213 -6.776 -1.453 1.00 0.00 N ATOM 519 CA LYS A 119 -14.026 -7.472 -0.482 1.00 0.00 C ATOM 520 C LYS A 119 -13.304 -7.602 0.848 1.00 0.00 C ATOM 521 O LYS A 119 -13.930 -7.545 1.905 1.00 0.00 O ATOM 522 CB LYS A 119 -14.488 -8.810 -1.008 1.00 0.00 C ATOM 523 CG LYS A 119 -15.266 -8.700 -2.313 1.00 0.00 C ATOM 524 CD LYS A 119 -16.516 -7.835 -2.179 1.00 0.00 C ATOM 525 CE LYS A 119 -17.247 -7.724 -3.503 1.00 0.00 C ATOM 526 NZ LYS A 119 -18.347 -6.742 -3.453 1.00 0.00 N ATOM 0 H LYS A 119 -12.807 -7.366 -2.179 1.00 0.00 H new ATOM 0 HA LYS A 119 -14.920 -6.874 -0.305 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -13.621 -9.453 -1.161 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -15.114 -9.293 -0.258 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -14.619 -8.280 -3.083 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -15.553 -9.697 -2.646 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -17.180 -8.264 -1.428 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -16.238 -6.841 -1.829 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -16.541 -7.437 -4.282 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -17.646 -8.700 -3.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -18.817 -6.700 -4.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -19.035 -7.028 -2.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -17.965 -5.804 -3.216 1.00 0.00 H new ATOM 540 N ARG A 120 -11.979 -7.758 0.802 1.00 0.00 N ATOM 541 CA ARG A 120 -11.195 -7.801 2.040 1.00 0.00 C ATOM 542 C ARG A 120 -10.845 -6.387 2.477 1.00 0.00 C ATOM 543 O ARG A 120 -10.365 -6.169 3.606 1.00 0.00 O ATOM 544 CB ARG A 120 -9.863 -8.512 1.839 1.00 0.00 C ATOM 545 CG ARG A 120 -9.895 -9.960 1.441 1.00 0.00 C ATOM 546 CD ARG A 120 -8.464 -10.445 1.281 1.00 0.00 C ATOM 547 NE ARG A 120 -8.364 -11.855 0.931 1.00 0.00 N ATOM 548 CZ ARG A 120 -7.210 -12.523 0.809 1.00 0.00 C ATOM 549 NH1 ARG A 120 -6.043 -11.894 0.979 1.00 0.00 N ATOM 550 NH2 ARG A 120 -7.222 -13.817 0.511 1.00 0.00 N ATOM 0 H ARG A 120 -11.436 -7.855 -0.056 1.00 0.00 H new ATOM 0 HA ARG A 120 -11.803 -8.327 2.776 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -9.304 -7.968 1.078 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -9.297 -8.432 2.767 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -10.413 -10.550 2.197 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -10.444 -10.085 0.508 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -7.972 -9.852 0.510 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -7.924 -10.271 2.211 1.00 0.00 H new ATOM 0 HE ARG A 120 -9.231 -12.368 0.768 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -6.028 -10.899 1.203 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -5.168 -12.409 0.885 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -8.110 -14.301 0.375 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -6.344 -14.327 0.418 1.00 0.00 H new ATOM 564 N GLU A 121 -11.136 -5.434 1.591 1.00 0.00 N ATOM 565 CA GLU A 121 -10.770 -4.028 1.731 1.00 0.00 C ATOM 566 C GLU A 121 -9.226 -3.921 1.775 1.00 0.00 C ATOM 567 O GLU A 121 -8.653 -3.004 2.368 1.00 0.00 O ATOM 568 CB GLU A 121 -11.424 -3.404 2.986 1.00 0.00 C ATOM 569 CG GLU A 121 -11.323 -1.879 3.058 1.00 0.00 C ATOM 570 CD GLU A 121 -11.877 -1.314 4.331 1.00 0.00 C ATOM 571 OE1 GLU A 121 -13.105 -1.165 4.443 1.00 0.00 O ATOM 572 OE2 GLU A 121 -11.092 -1.001 5.249 1.00 0.00 O ATOM 0 H GLU A 121 -11.649 -5.627 0.731 1.00 0.00 H new ATOM 0 HA GLU A 121 -11.142 -3.464 0.876 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -12.476 -3.688 3.012 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -10.957 -3.829 3.874 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -10.278 -1.585 2.961 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -11.856 -1.445 2.212 1.00 0.00 H new ATOM 579 N THR A 122 -8.559 -4.830 1.099 1.00 0.00 N ATOM 580 CA THR A 122 -7.129 -4.844 1.104 1.00 0.00 C ATOM 581 C THR A 122 -6.586 -4.799 -0.304 1.00 0.00 C ATOM 582 O THR A 122 -7.316 -4.988 -1.264 1.00 0.00 O ATOM 583 CB THR A 122 -6.555 -6.072 1.840 1.00 0.00 C ATOM 584 OG1 THR A 122 -7.007 -7.287 1.223 1.00 0.00 O ATOM 585 CG2 THR A 122 -6.951 -6.077 3.296 1.00 0.00 C ATOM 0 H THR A 122 -8.992 -5.566 0.541 1.00 0.00 H new ATOM 0 HA THR A 122 -6.813 -3.952 1.645 1.00 0.00 H new ATOM 0 HB THR A 122 -5.469 -6.011 1.774 1.00 0.00 H new ATOM 0 HG1 THR A 122 -6.492 -8.043 1.574 1.00 0.00 H new ATOM 0 HG21 THR A 122 -6.530 -6.956 3.785 1.00 0.00 H new ATOM 0 HG22 THR A 122 -6.572 -5.176 3.779 1.00 0.00 H new ATOM 0 HG23 THR A 122 -8.038 -6.102 3.377 1.00 0.00 H new ATOM 593 N CYS A 123 -5.340 -4.513 -0.418 1.00 0.00 N ATOM 594 CA CYS A 123 -4.675 -4.465 -1.669 1.00 0.00 C ATOM 595 C CYS A 123 -3.243 -4.863 -1.511 1.00 0.00 C ATOM 596 O CYS A 123 -2.688 -4.745 -0.437 1.00 0.00 O ATOM 597 CB CYS A 123 -4.786 -3.083 -2.242 1.00 0.00 C ATOM 598 SG CYS A 123 -4.352 -1.808 -1.065 1.00 0.00 S ATOM 0 H CYS A 123 -4.738 -4.300 0.378 1.00 0.00 H new ATOM 0 HA CYS A 123 -5.145 -5.169 -2.356 1.00 0.00 H new ATOM 0 HB2 CYS A 123 -4.137 -3.003 -3.114 1.00 0.00 H new ATOM 0 HB3 CYS A 123 -5.806 -2.919 -2.589 1.00 0.00 H new ATOM 0 HG CYS A 123 -3.135 -1.409 -1.287 1.00 0.00 H new ATOM 604 N VAL A 124 -2.668 -5.335 -2.559 1.00 0.00 N ATOM 605 CA VAL A 124 -1.299 -5.728 -2.560 1.00 0.00 C ATOM 606 C VAL A 124 -0.507 -4.623 -3.208 1.00 0.00 C ATOM 607 O VAL A 124 -0.860 -4.164 -4.314 1.00 0.00 O ATOM 608 CB VAL A 124 -1.092 -7.050 -3.335 1.00 0.00 C ATOM 609 CG1 VAL A 124 0.365 -7.495 -3.269 1.00 0.00 C ATOM 610 CG2 VAL A 124 -2.012 -8.129 -2.790 1.00 0.00 C ATOM 0 H VAL A 124 -3.140 -5.462 -3.454 1.00 0.00 H new ATOM 0 HA VAL A 124 -0.967 -5.898 -1.536 1.00 0.00 H new ATOM 0 HB VAL A 124 -1.342 -6.879 -4.382 1.00 0.00 H new ATOM 0 HG11 VAL A 124 0.486 -8.427 -3.821 1.00 0.00 H new ATOM 0 HG12 VAL A 124 1.000 -6.727 -3.710 1.00 0.00 H new ATOM 0 HG13 VAL A 124 0.651 -7.650 -2.229 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -1.856 -9.054 -3.345 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -1.792 -8.296 -1.736 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -3.049 -7.812 -2.898 1.00 0.00 H new ATOM 620 N VAL A 125 0.537 -4.203 -2.562 1.00 0.00 N ATOM 621 CA VAL A 125 1.334 -3.126 -3.059 1.00 0.00 C ATOM 622 C VAL A 125 2.736 -3.617 -3.317 1.00 0.00 C ATOM 623 O VAL A 125 3.219 -4.539 -2.653 1.00 0.00 O ATOM 624 CB VAL A 125 1.403 -1.938 -2.049 1.00 0.00 C ATOM 625 CG1 VAL A 125 0.014 -1.404 -1.709 1.00 0.00 C ATOM 626 CG2 VAL A 125 2.163 -2.333 -0.779 1.00 0.00 C ATOM 0 H VAL A 125 0.859 -4.596 -1.678 1.00 0.00 H new ATOM 0 HA VAL A 125 0.869 -2.771 -3.979 1.00 0.00 H new ATOM 0 HB VAL A 125 1.954 -1.133 -2.536 1.00 0.00 H new ATOM 0 HG11 VAL A 125 0.104 -0.578 -1.003 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -0.473 -1.053 -2.618 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -0.582 -2.199 -1.262 1.00 0.00 H new ATOM 0 HG21 VAL A 125 2.194 -1.485 -0.095 1.00 0.00 H new ATOM 0 HG22 VAL A 125 1.657 -3.169 -0.297 1.00 0.00 H new ATOM 0 HG23 VAL A 125 3.180 -2.626 -1.040 1.00 0.00 H new ATOM 636 N VAL A 126 3.350 -3.051 -4.301 1.00 0.00 N ATOM 637 CA VAL A 126 4.696 -3.358 -4.641 1.00 0.00 C ATOM 638 C VAL A 126 5.552 -2.173 -4.293 1.00 0.00 C ATOM 639 O VAL A 126 5.345 -1.077 -4.827 1.00 0.00 O ATOM 640 CB VAL A 126 4.865 -3.683 -6.145 1.00 0.00 C ATOM 641 CG1 VAL A 126 6.330 -3.919 -6.476 1.00 0.00 C ATOM 642 CG2 VAL A 126 4.041 -4.899 -6.531 1.00 0.00 C ATOM 0 H VAL A 126 2.921 -2.348 -4.903 1.00 0.00 H new ATOM 0 HA VAL A 126 4.995 -4.245 -4.082 1.00 0.00 H new ATOM 0 HB VAL A 126 4.507 -2.828 -6.718 1.00 0.00 H new ATOM 0 HG11 VAL A 126 6.431 -4.146 -7.537 1.00 0.00 H new ATOM 0 HG12 VAL A 126 6.905 -3.024 -6.240 1.00 0.00 H new ATOM 0 HG13 VAL A 126 6.705 -4.757 -5.888 1.00 0.00 H new ATOM 0 HG21 VAL A 126 4.176 -5.108 -7.592 1.00 0.00 H new ATOM 0 HG22 VAL A 126 4.367 -5.760 -5.947 1.00 0.00 H new ATOM 0 HG23 VAL A 126 2.988 -4.703 -6.331 1.00 0.00 H new ATOM 652 N TYR A 127 6.482 -2.379 -3.411 1.00 0.00 N ATOM 653 CA TYR A 127 7.369 -1.331 -2.973 1.00 0.00 C ATOM 654 C TYR A 127 8.331 -0.957 -4.066 1.00 0.00 C ATOM 655 O TYR A 127 9.112 -1.793 -4.550 1.00 0.00 O ATOM 656 CB TYR A 127 8.117 -1.737 -1.725 1.00 0.00 C ATOM 657 CG TYR A 127 7.218 -1.971 -0.551 1.00 0.00 C ATOM 658 CD1 TYR A 127 6.786 -0.911 0.216 1.00 0.00 C ATOM 659 CD2 TYR A 127 6.798 -3.249 -0.212 1.00 0.00 C ATOM 660 CE1 TYR A 127 5.964 -1.105 1.287 1.00 0.00 C ATOM 661 CE2 TYR A 127 5.967 -3.459 0.853 1.00 0.00 C ATOM 662 CZ TYR A 127 5.549 -2.371 1.609 1.00 0.00 C ATOM 663 OH TYR A 127 4.686 -2.537 2.668 1.00 0.00 O ATOM 0 H TYR A 127 6.652 -3.282 -2.969 1.00 0.00 H new ATOM 0 HA TYR A 127 6.762 -0.458 -2.734 1.00 0.00 H new ATOM 0 HB2 TYR A 127 8.684 -2.646 -1.928 1.00 0.00 H new ATOM 0 HB3 TYR A 127 8.839 -0.961 -1.473 1.00 0.00 H new ATOM 0 HD1 TYR A 127 7.104 0.090 -0.035 1.00 0.00 H new ATOM 0 HD2 TYR A 127 7.133 -4.092 -0.799 1.00 0.00 H new ATOM 0 HE1 TYR A 127 5.641 -0.262 1.880 1.00 0.00 H new ATOM 0 HE2 TYR A 127 5.640 -4.457 1.103 1.00 0.00 H new ATOM 0 HH TYR A 127 4.818 -3.425 3.061 1.00 0.00 H new ATOM 673 N THR A 128 8.264 0.277 -4.447 1.00 0.00 N ATOM 674 CA THR A 128 9.047 0.814 -5.508 1.00 0.00 C ATOM 675 C THR A 128 10.541 0.783 -5.162 1.00 0.00 C ATOM 676 O THR A 128 10.948 1.147 -4.052 1.00 0.00 O ATOM 677 CB THR A 128 8.583 2.250 -5.782 1.00 0.00 C ATOM 678 OG1 THR A 128 7.169 2.226 -6.079 1.00 0.00 O ATOM 679 CG2 THR A 128 9.351 2.846 -6.947 1.00 0.00 C ATOM 0 H THR A 128 7.642 0.960 -4.013 1.00 0.00 H new ATOM 0 HA THR A 128 8.910 0.206 -6.402 1.00 0.00 H new ATOM 0 HB THR A 128 8.771 2.869 -4.904 1.00 0.00 H new ATOM 0 HG1 THR A 128 6.856 3.138 -6.255 1.00 0.00 H new ATOM 0 HG21 THR A 128 9.008 3.865 -7.126 1.00 0.00 H new ATOM 0 HG22 THR A 128 10.416 2.858 -6.713 1.00 0.00 H new ATOM 0 HG23 THR A 128 9.182 2.244 -7.840 1.00 0.00 H new ATOM 687 N GLY A 129 11.332 0.284 -6.092 1.00 0.00 N ATOM 688 CA GLY A 129 12.762 0.213 -5.915 1.00 0.00 C ATOM 689 C GLY A 129 13.175 -1.109 -5.324 1.00 0.00 C ATOM 690 O GLY A 129 14.318 -1.553 -5.474 1.00 0.00 O ATOM 0 H GLY A 129 11.000 -0.081 -6.985 1.00 0.00 H new ATOM 0 HA2 GLY A 129 13.257 0.355 -6.876 1.00 0.00 H new ATOM 0 HA3 GLY A 129 13.091 1.023 -5.264 1.00 0.00 H new ATOM 694 N TYR A 130 12.246 -1.746 -4.659 1.00 0.00 N ATOM 695 CA TYR A 130 12.514 -3.006 -4.021 1.00 0.00 C ATOM 696 C TYR A 130 11.892 -4.153 -4.793 1.00 0.00 C ATOM 697 O TYR A 130 12.498 -5.215 -4.957 1.00 0.00 O ATOM 698 CB TYR A 130 12.004 -2.993 -2.586 1.00 0.00 C ATOM 699 CG TYR A 130 12.546 -1.847 -1.767 1.00 0.00 C ATOM 700 CD1 TYR A 130 13.844 -1.864 -1.290 1.00 0.00 C ATOM 701 CD2 TYR A 130 11.754 -0.746 -1.474 1.00 0.00 C ATOM 702 CE1 TYR A 130 14.338 -0.818 -0.539 1.00 0.00 C ATOM 703 CE2 TYR A 130 12.239 0.305 -0.728 1.00 0.00 C ATOM 704 CZ TYR A 130 13.531 0.263 -0.261 1.00 0.00 C ATOM 705 OH TYR A 130 14.029 1.320 0.480 1.00 0.00 O ATOM 0 H TYR A 130 11.290 -1.408 -4.546 1.00 0.00 H new ATOM 0 HA TYR A 130 13.594 -3.155 -4.008 1.00 0.00 H new ATOM 0 HB2 TYR A 130 10.915 -2.940 -2.596 1.00 0.00 H new ATOM 0 HB3 TYR A 130 12.273 -3.933 -2.104 1.00 0.00 H new ATOM 0 HD1 TYR A 130 14.480 -2.709 -1.509 1.00 0.00 H new ATOM 0 HD2 TYR A 130 10.738 -0.713 -1.838 1.00 0.00 H new ATOM 0 HE1 TYR A 130 15.353 -0.846 -0.171 1.00 0.00 H new ATOM 0 HE2 TYR A 130 11.609 1.155 -0.512 1.00 0.00 H new ATOM 0 HH TYR A 130 13.333 2.002 0.586 1.00 0.00 H new ATOM 715 N GLY A 131 10.682 -3.953 -5.258 1.00 0.00 N ATOM 716 CA GLY A 131 10.007 -4.988 -6.001 1.00 0.00 C ATOM 717 C GLY A 131 9.282 -5.949 -5.093 1.00 0.00 C ATOM 718 O GLY A 131 8.762 -6.963 -5.542 1.00 0.00 O ATOM 0 H GLY A 131 10.149 -3.092 -5.136 1.00 0.00 H new ATOM 0 HA2 GLY A 131 9.296 -4.534 -6.692 1.00 0.00 H new ATOM 0 HA3 GLY A 131 10.732 -5.535 -6.603 1.00 0.00 H new ATOM 722 N ASN A 132 9.252 -5.629 -3.816 1.00 0.00 N ATOM 723 CA ASN A 132 8.554 -6.447 -2.830 1.00 0.00 C ATOM 724 C ASN A 132 7.087 -6.193 -2.918 1.00 0.00 C ATOM 725 O ASN A 132 6.674 -5.118 -3.319 1.00 0.00 O ATOM 726 CB ASN A 132 8.980 -6.123 -1.409 1.00 0.00 C ATOM 727 CG ASN A 132 10.299 -6.696 -0.954 1.00 0.00 C ATOM 728 OD1 ASN A 132 11.237 -6.918 -1.729 1.00 0.00 O ATOM 729 ND2 ASN A 132 10.390 -6.893 0.327 1.00 0.00 N ATOM 0 H ASN A 132 9.705 -4.802 -3.428 1.00 0.00 H new ATOM 0 HA ASN A 132 8.801 -7.485 -3.051 1.00 0.00 H new ATOM 0 HB2 ASN A 132 9.025 -5.039 -1.305 1.00 0.00 H new ATOM 0 HB3 ASN A 132 8.203 -6.476 -0.731 1.00 0.00 H new ATOM 0 HD21 ASN A 132 11.260 -7.244 0.729 1.00 0.00 H new ATOM 0 HD22 ASN A 132 9.592 -6.697 0.931 1.00 0.00 H new ATOM 736 N ARG A 133 6.307 -7.143 -2.513 1.00 0.00 N ATOM 737 CA ARG A 133 4.876 -7.001 -2.554 1.00 0.00 C ATOM 738 C ARG A 133 4.285 -7.514 -1.256 1.00 0.00 C ATOM 739 O ARG A 133 4.755 -8.523 -0.722 1.00 0.00 O ATOM 740 CB ARG A 133 4.283 -7.720 -3.808 1.00 0.00 C ATOM 741 CG ARG A 133 4.408 -9.248 -3.827 1.00 0.00 C ATOM 742 CD ARG A 133 3.243 -9.932 -3.117 1.00 0.00 C ATOM 743 NE ARG A 133 3.493 -11.353 -2.889 1.00 0.00 N ATOM 744 CZ ARG A 133 2.559 -12.301 -2.801 1.00 0.00 C ATOM 745 NH1 ARG A 133 1.279 -12.030 -3.095 1.00 0.00 N ATOM 746 NH2 ARG A 133 2.909 -13.533 -2.449 1.00 0.00 N ATOM 0 H ARG A 133 6.635 -8.036 -2.146 1.00 0.00 H new ATOM 0 HA ARG A 133 4.612 -5.948 -2.651 1.00 0.00 H new ATOM 0 HB2 ARG A 133 3.227 -7.460 -3.886 1.00 0.00 H new ATOM 0 HB3 ARG A 133 4.775 -7.324 -4.696 1.00 0.00 H new ATOM 0 HG2 ARG A 133 4.455 -9.594 -4.860 1.00 0.00 H new ATOM 0 HG3 ARG A 133 5.344 -9.540 -3.350 1.00 0.00 H new ATOM 0 HD2 ARG A 133 3.062 -9.439 -2.162 1.00 0.00 H new ATOM 0 HD3 ARG A 133 2.338 -9.815 -3.713 1.00 0.00 H new ATOM 0 HE ARG A 133 4.465 -11.645 -2.788 1.00 0.00 H new ATOM 0 HH11 ARG A 133 1.011 -11.091 -3.390 1.00 0.00 H new ATOM 0 HH12 ARG A 133 0.573 -12.763 -3.024 1.00 0.00 H new ATOM 0 HH21 ARG A 133 3.886 -13.748 -2.248 1.00 0.00 H new ATOM 0 HH22 ARG A 133 2.201 -14.264 -2.379 1.00 0.00 H new ATOM 760 N GLU A 134 3.324 -6.809 -0.728 1.00 0.00 N ATOM 761 CA GLU A 134 2.634 -7.226 0.476 1.00 0.00 C ATOM 762 C GLU A 134 1.241 -6.633 0.499 1.00 0.00 C ATOM 763 O GLU A 134 0.962 -5.692 -0.250 1.00 0.00 O ATOM 764 CB GLU A 134 3.387 -6.931 1.766 1.00 0.00 C ATOM 765 CG GLU A 134 3.135 -5.589 2.358 1.00 0.00 C ATOM 766 CD GLU A 134 3.672 -5.489 3.752 1.00 0.00 C ATOM 767 OE1 GLU A 134 3.068 -6.087 4.662 1.00 0.00 O ATOM 768 OE2 GLU A 134 4.708 -4.839 3.968 1.00 0.00 O ATOM 0 H GLU A 134 2.991 -5.926 -1.116 1.00 0.00 H new ATOM 0 HA GLU A 134 2.571 -8.313 0.437 1.00 0.00 H new ATOM 0 HB2 GLU A 134 3.123 -7.690 2.503 1.00 0.00 H new ATOM 0 HB3 GLU A 134 4.455 -7.030 1.574 1.00 0.00 H new ATOM 0 HG2 GLU A 134 3.597 -4.824 1.734 1.00 0.00 H new ATOM 0 HG3 GLU A 134 2.063 -5.390 2.366 1.00 0.00 H new ATOM 775 N GLU A 135 0.366 -7.219 1.265 1.00 0.00 N ATOM 776 CA GLU A 135 -0.996 -6.791 1.314 1.00 0.00 C ATOM 777 C GLU A 135 -1.235 -5.792 2.463 1.00 0.00 C ATOM 778 O GLU A 135 -0.807 -5.996 3.614 1.00 0.00 O ATOM 779 CB GLU A 135 -1.896 -7.995 1.449 1.00 0.00 C ATOM 780 CG GLU A 135 -3.313 -7.749 0.994 1.00 0.00 C ATOM 781 CD GLU A 135 -4.117 -9.013 0.885 1.00 0.00 C ATOM 782 OE1 GLU A 135 -3.735 -9.894 0.089 1.00 0.00 O ATOM 783 OE2 GLU A 135 -5.160 -9.154 1.566 1.00 0.00 O ATOM 0 H GLU A 135 0.581 -8.009 1.873 1.00 0.00 H new ATOM 0 HA GLU A 135 -1.230 -6.270 0.386 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -1.476 -8.818 0.870 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -1.909 -8.312 2.492 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -3.802 -7.072 1.694 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -3.297 -7.249 0.025 1.00 0.00 H new ATOM 790 N GLN A 136 -1.916 -4.749 2.124 1.00 0.00 N ATOM 791 CA GLN A 136 -2.282 -3.650 3.004 1.00 0.00 C ATOM 792 C GLN A 136 -3.747 -3.405 2.890 1.00 0.00 C ATOM 793 O GLN A 136 -4.371 -3.854 1.960 1.00 0.00 O ATOM 794 CB GLN A 136 -1.607 -2.347 2.623 1.00 0.00 C ATOM 795 CG GLN A 136 -0.271 -2.024 3.247 1.00 0.00 C ATOM 796 CD GLN A 136 0.857 -2.856 2.735 1.00 0.00 C ATOM 797 OE1 GLN A 136 0.791 -3.380 1.655 1.00 0.00 O ATOM 798 NE2 GLN A 136 1.948 -2.854 3.436 1.00 0.00 N ATOM 0 H GLN A 136 -2.260 -4.617 1.173 1.00 0.00 H new ATOM 0 HA GLN A 136 -1.973 -3.939 4.009 1.00 0.00 H new ATOM 0 HB2 GLN A 136 -1.478 -2.343 1.541 1.00 0.00 H new ATOM 0 HB3 GLN A 136 -2.292 -1.534 2.865 1.00 0.00 H new ATOM 0 HG2 GLN A 136 -0.043 -0.973 3.069 1.00 0.00 H new ATOM 0 HG3 GLN A 136 -0.345 -2.156 4.327 1.00 0.00 H new ATOM 0 HE21 GLN A 136 1.967 -2.399 4.349 1.00 0.00 H new ATOM 0 HE22 GLN A 136 2.787 -3.307 3.075 1.00 0.00 H new ATOM 807 N ASN A 137 -4.282 -2.680 3.811 1.00 0.00 N ATOM 808 CA ASN A 137 -5.700 -2.332 3.778 1.00 0.00 C ATOM 809 C ASN A 137 -5.851 -1.042 3.016 1.00 0.00 C ATOM 810 O ASN A 137 -4.978 -0.182 3.100 1.00 0.00 O ATOM 811 CB ASN A 137 -6.281 -2.156 5.189 1.00 0.00 C ATOM 812 CG ASN A 137 -6.065 -3.357 6.081 1.00 0.00 C ATOM 813 OD1 ASN A 137 -6.885 -4.280 6.120 1.00 0.00 O ATOM 814 ND2 ASN A 137 -4.981 -3.352 6.824 1.00 0.00 N ATOM 0 H ASN A 137 -3.772 -2.304 4.611 1.00 0.00 H new ATOM 0 HA ASN A 137 -6.245 -3.144 3.296 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -5.827 -1.281 5.654 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -7.350 -1.958 5.112 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -4.795 -4.128 7.459 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -4.326 -2.572 6.765 1.00 0.00 H new ATOM 821 N LEU A 138 -6.943 -0.893 2.287 1.00 0.00 N ATOM 822 CA LEU A 138 -7.216 0.322 1.497 1.00 0.00 C ATOM 823 C LEU A 138 -7.265 1.555 2.394 1.00 0.00 C ATOM 824 O LEU A 138 -6.843 2.645 2.009 1.00 0.00 O ATOM 825 CB LEU A 138 -8.550 0.171 0.756 1.00 0.00 C ATOM 826 CG LEU A 138 -8.628 -0.978 -0.245 1.00 0.00 C ATOM 827 CD1 LEU A 138 -10.048 -1.150 -0.732 1.00 0.00 C ATOM 828 CD2 LEU A 138 -7.696 -0.733 -1.418 1.00 0.00 C ATOM 0 H LEU A 138 -7.672 -1.603 2.218 1.00 0.00 H new ATOM 0 HA LEU A 138 -6.409 0.450 0.776 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -9.341 0.039 1.494 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -8.758 1.102 0.229 1.00 0.00 H new ATOM 0 HG LEU A 138 -8.314 -1.893 0.257 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -10.091 -1.973 -1.446 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -10.699 -1.370 0.114 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -10.380 -0.232 -1.216 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -7.768 -1.564 -2.119 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -7.979 0.192 -1.921 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -6.671 -0.650 -1.057 1.00 0.00 H new ATOM 840 N SER A 139 -7.765 1.360 3.587 1.00 0.00 N ATOM 841 CA SER A 139 -7.883 2.366 4.558 1.00 0.00 C ATOM 842 C SER A 139 -6.521 2.682 5.215 1.00 0.00 C ATOM 843 O SER A 139 -6.270 3.800 5.691 1.00 0.00 O ATOM 844 CB SER A 139 -8.833 1.814 5.555 1.00 0.00 C ATOM 845 OG SER A 139 -10.056 1.426 4.919 1.00 0.00 O ATOM 0 H SER A 139 -8.109 0.452 3.901 1.00 0.00 H new ATOM 0 HA SER A 139 -8.229 3.306 4.127 1.00 0.00 H new ATOM 0 HB2 SER A 139 -8.387 0.954 6.054 1.00 0.00 H new ATOM 0 HB3 SER A 139 -9.036 2.559 6.324 1.00 0.00 H new ATOM 0 HG SER A 139 -10.157 0.453 4.971 1.00 0.00 H new ATOM 851 N ASP A 140 -5.650 1.704 5.190 1.00 0.00 N ATOM 852 CA ASP A 140 -4.332 1.788 5.815 1.00 0.00 C ATOM 853 C ASP A 140 -3.295 2.341 4.878 1.00 0.00 C ATOM 854 O ASP A 140 -2.183 2.646 5.294 1.00 0.00 O ATOM 855 CB ASP A 140 -3.881 0.426 6.316 1.00 0.00 C ATOM 856 CG ASP A 140 -4.485 0.043 7.652 1.00 0.00 C ATOM 857 OD1 ASP A 140 -5.686 -0.291 7.715 1.00 0.00 O ATOM 858 OD2 ASP A 140 -3.768 0.082 8.672 1.00 0.00 O ATOM 0 H ASP A 140 -5.829 0.811 4.731 1.00 0.00 H new ATOM 0 HA ASP A 140 -4.431 2.472 6.658 1.00 0.00 H new ATOM 0 HB2 ASP A 140 -4.145 -0.330 5.577 1.00 0.00 H new ATOM 0 HB3 ASP A 140 -2.794 0.421 6.403 1.00 0.00 H new ATOM 863 N LEU A 141 -3.626 2.407 3.612 1.00 0.00 N ATOM 864 CA LEU A 141 -2.745 2.998 2.617 1.00 0.00 C ATOM 865 C LEU A 141 -2.594 4.468 2.849 1.00 0.00 C ATOM 866 O LEU A 141 -3.530 5.143 3.293 1.00 0.00 O ATOM 867 CB LEU A 141 -3.253 2.783 1.199 1.00 0.00 C ATOM 868 CG LEU A 141 -3.324 1.360 0.692 1.00 0.00 C ATOM 869 CD1 LEU A 141 -3.736 1.359 -0.761 1.00 0.00 C ATOM 870 CD2 LEU A 141 -1.995 0.669 0.868 1.00 0.00 C ATOM 0 H LEU A 141 -4.507 2.057 3.237 1.00 0.00 H new ATOM 0 HA LEU A 141 -1.782 2.498 2.724 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -4.251 3.215 1.130 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -2.613 3.350 0.523 1.00 0.00 H new ATOM 0 HG LEU A 141 -4.068 0.813 1.271 1.00 0.00 H new ATOM 0 HD11 LEU A 141 -3.786 0.333 -1.124 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -4.715 1.828 -0.862 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -3.005 1.916 -1.347 1.00 0.00 H new ATOM 0 HD21 LEU A 141 -2.065 -0.354 0.498 1.00 0.00 H new ATOM 0 HD22 LEU A 141 -1.229 1.206 0.309 1.00 0.00 H new ATOM 0 HD23 LEU A 141 -1.729 0.655 1.925 1.00 0.00 H new ATOM 882 N LEU A 142 -1.439 4.968 2.571 1.00 0.00 N ATOM 883 CA LEU A 142 -1.197 6.359 2.709 1.00 0.00 C ATOM 884 C LEU A 142 -0.951 6.930 1.346 1.00 0.00 C ATOM 885 O LEU A 142 -0.631 6.182 0.417 1.00 0.00 O ATOM 886 CB LEU A 142 -0.007 6.646 3.635 1.00 0.00 C ATOM 887 CG LEU A 142 -0.114 6.149 5.082 1.00 0.00 C ATOM 888 CD1 LEU A 142 0.267 4.679 5.213 1.00 0.00 C ATOM 889 CD2 LEU A 142 0.705 7.020 6.004 1.00 0.00 C ATOM 0 H LEU A 142 -0.640 4.425 2.243 1.00 0.00 H new ATOM 0 HA LEU A 142 -2.069 6.827 3.167 1.00 0.00 H new ATOM 0 HB2 LEU A 142 0.883 6.202 3.190 1.00 0.00 H new ATOM 0 HB3 LEU A 142 0.152 7.724 3.658 1.00 0.00 H new ATOM 0 HG LEU A 142 -1.159 6.226 5.381 1.00 0.00 H new ATOM 0 HD11 LEU A 142 0.176 4.371 6.255 1.00 0.00 H new ATOM 0 HD12 LEU A 142 -0.398 4.074 4.597 1.00 0.00 H new ATOM 0 HD13 LEU A 142 1.296 4.539 4.881 1.00 0.00 H new ATOM 0 HD21 LEU A 142 0.617 6.652 7.026 1.00 0.00 H new ATOM 0 HD22 LEU A 142 1.751 6.992 5.697 1.00 0.00 H new ATOM 0 HD23 LEU A 142 0.340 8.046 5.955 1.00 0.00 H new ATOM 901 N SER A 143 -1.089 8.220 1.220 1.00 0.00 N ATOM 902 CA SER A 143 -0.894 8.892 -0.032 1.00 0.00 C ATOM 903 C SER A 143 0.606 8.789 -0.390 1.00 0.00 C ATOM 904 O SER A 143 1.459 8.776 0.518 1.00 0.00 O ATOM 905 CB SER A 143 -1.358 10.353 0.124 1.00 0.00 C ATOM 906 OG SER A 143 -1.530 11.001 -1.124 1.00 0.00 O ATOM 0 H SER A 143 -1.342 8.839 1.990 1.00 0.00 H new ATOM 0 HA SER A 143 -1.474 8.443 -0.839 1.00 0.00 H new ATOM 0 HB2 SER A 143 -2.298 10.376 0.675 1.00 0.00 H new ATOM 0 HB3 SER A 143 -0.627 10.902 0.718 1.00 0.00 H new ATOM 0 HG SER A 143 -1.826 11.923 -0.976 1.00 0.00 H new